2-(2-methylprop-2-enylsulfinyl)ethanamine

C6H13NOS — CID 58684571

IUPAC2-(2-methylprop-2-enylsulfinyl)ethanamine
SMILESC=C(C)CS(=O)CCN
InChIInChI=1S/C6H13NOS/c1-6(2)5-9(8)4-3-7/h1,3-5,7H2,2H3
InChIKeyVSHADFWIEASIHR-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.27
Rot. Bonds4

About 2-(2-methylprop-2-enylsulfinyl)ethanamine

2-(2-methylprop-2-enylsulfinyl)ethanamine (PubChem CID 58684571) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfinyl)ethanamine
PubChem CID58684571
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-(2-methylprop-2-enylsulfinyl)ethanamine
SMILESC=C(C)CS(=O)CCN
InChIInChI=1S/C6H13NOS/c1-6(2)5-9(8)4-3-7/h1,3-5,7H2,2H3
InChIKeyVSHADFWIEASIHR-UHFFFAOYSA-N
XLogP0.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
2-(2-Methylprop-2-enylsulfanyl)ethanamine
CID 24692043
3-(2-Methylprop-2-enylsulfonyl)propan-1-amine
CID 58684037
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
2-(3-Methylbut-2-enylsulfonyl)ethanamine
CID 58684439
3-(2-Methylprop-2-enylsulfinyl)propan-1-amine
CID 58684491
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
3-But-3-en-2-ylsulfinylpropan-1-amine
CID 58684703

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfinyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enylsulfinyl)ethanamine (CID 58684571) is 2-(2-methylprop-2-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enylsulfinyl)ethanamine is C=C(C)CS(=O)CCN.
What is the InChIKey of 2-(2-methylprop-2-enylsulfinyl)ethanamine?
The InChIKey is VSHADFWIEASIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(2)5-9(8)4-3-7/h1,3-5,7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfinyl)ethanamine?
2-(2-methylprop-2-enylsulfinyl)ethanamine has a molecular weight of 147.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfinyl)ethanamine is sourced from PubChem (CID 58684571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).